Theory and range of modern semiempirical molecular orbital methods

Theoretical Chemistry Accounts

Volumn 113, Issue 1, 2005, Pages 1-14

  Bredow, Thomas ^a   Jug, Karl ^a  

^a LEIBNIZ UNIVERSITY HANNOVER   (Germany)

Author keywords

Semiempirical applications; Semiempirical molecular orbital methods; Semiempirical parameterization

Indexed keywords

SOLVENT;

AB INITIO CALCULATION; ACCURACY; ANALYTICAL ERROR; ANALYTICAL PARAMETERS; BIOCHEMISTRY; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; EMPIRICISM; ENERGY; EXPERIMENT; INTERMETHOD COMPARISON; MOLECULAR DYNAMICS; NANOPARTICLE; REVIEW; SIMULATION; SOLID; STATISTICS; SURFACE PROPERTY; THEORY;

EID: 84962440885     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-004-0610-3     Document Type: Review

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